SCHEMBL28193271

SCHEMBL28193271

CCCCCCCCCCCCC(c1ccccc1)c1cc(C)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CYP19A1 P11511 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
NOS2 P35228 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TBXAS1 P24557 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL11538778 0.81 SLC6A2 (0.59) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL18879376 0.79 KDM4E (0.43) KDM4EHPGDMEN1KMT2ANOS2
SCHEMBL863944 0.78 CHRM2 (0.42) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL8100113 0.76 SIGMAR1 (0.62) CYP19A1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL8095418 0.76 SIGMAR1 (0.62) CYP19A1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL3515142 0.76 SIGMAR1 (0.62) CYP19A1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL4740370 0.76 SIGMAR1 (0.62) CYP19A1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL9401973 0.76 SIGMAR1 (0.62) CYP19A1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL8086241 0.76 SIGMAR1 (0.62) CYP19A1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL10578613 0.76 SIGMAR1 (0.62) CYP19A1SIGMAR1MEN1KMT2ANPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107427869-A Ash processing is with immobilization of heavy metals agent and uses its grey processing method 栗田工业株式会社 2017-12-01 CN disclosed